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a b/.devcontainer/devcontainer.json
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{
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    "name": "BioNeMo2 Development Container",
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    "runArgs": [
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        "--gpus=all",
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        "--shm-size=4g"
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    ],
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    "build": {
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        "context": "${localWorkspaceFolder}",
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        "dockerfile": "${localWorkspaceFolder}/Dockerfile",
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        "cacheFrom": "type=registry,ref=nvcr.io/nvidian/cvai_bnmo_trng/bionemo:bionemo2-devcontainer-cache",
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        "cacheTo": "type=registry,ref=nvcr.io/nvidian/cvai_bnmo_trng/bionemo:bionemo2-devcontainer-cache,mode=max",
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        "target": "dev"
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    },
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    "mounts": [
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        // Mount the local ~/.aws config to pass along AWS credentials for PBSS.
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        "source=${localEnv:HOME}/.aws,target=/home/ubuntu/.aws,type=bind,consistency=cached",
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        "source=${localEnv:HOME}/.ngc,target=/home/ubuntu/.ngc,type=bind,consistency=cached",
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        "source=${localEnv:HOME}/.cache,target=/home/ubuntu/.cache,type=bind,consistency=cached",
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        "source=${localEnv:HOME}/.ssh,target=/home/ubuntu/.ssh,readonly,type=bind,consistency=cached",
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        "source=${localEnv:HOME}/.netrc,target=/home/ubuntu/.netrc,readonly,type=bind,consistency=cached",
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        // Mount bash history file for persistence. Created if it doesn't exist in initializeCommand.sh
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        "source=${localEnv:HOME}/.bash_history_devcontainer,target=/home/ubuntu/.bash_history,type=bind,consistency=cached"
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    ],
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    "containerEnv": {
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        "TMPDIR": "/tmp",
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        "NUMBA_CACHE_DIR": "/tmp/"
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    },
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    "postCreateCommand": "./.devcontainer/postCreateCommand.sh",
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    "initializeCommand": "./.devcontainer/initializeCommand.sh",
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    "remoteUser": "ubuntu",
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    "customizations": {
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        "vscode": {
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            "extensions": [
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                "ms-python.python",
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                "ms-python.vscode-pylance",
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                "eamodio.gitlens",
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                "streetsidesoftware.code-spell-checker",
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                "ms-azuretools.vscode-docker",
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                "charliermarsh.ruff",
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                "njpwerner.autodocstring",
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                "ms-toolsai.jupyter",
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                "tamasfe.even-better-toml"
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            ],
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            "settings": {
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                "python.analysis.extraPaths": [
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                    "./sub-packages/bionemo-fw/src",
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                    "./sub-packages/bionemo-core/src",
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                    "./sub-packages/bionemo-esm2/src",
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                    "./sub-packages/bionemo-geneformer/src",
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                    "./sub-packages/bionemo-llm/src",
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                    "./sub-packages/bionemo-testing/src",
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                    "./sub-packages/bionemo-amplify/src",
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                    "./sub-packages/bionemo-example_model/src",
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                    "./3rdparty/NeMo",
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                    "./3rdparty/Megatron-LM"
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                ],
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                "python.defaultInterpreterPath": "/usr/bin/python",
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                "python.testing.pytestEnabled": true,
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                "python.testing.pytestArgs": [
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                    "sub-packages/",
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                    "scripts/"
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                ],
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                "python.analysis.typeCheckingMode": "standard"
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            }
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        }
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    }
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}